# generated using pymatgen
data_MnV2Ni2H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.35888221
_cell_length_b   9.71826947
_cell_length_c   13.64677928
_cell_angle_alpha   103.49686746
_cell_angle_beta   90.00001527
_cell_angle_gamma   90.00012293
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnV2Ni2H32C12(NO2)6
_chemical_formula_sum   'Mn2 V4 Ni4 H64 C24 N12 O24'
_cell_volume   1206.92505105
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  V  V0  1  0.09035544  0.86047571  0.73284114  1
  V  V1  1  0.59035782  0.63951967  0.76715959  1
  V  V2  1  0.90964147  0.13952703  0.26715917  1
  V  V3  1  0.40963990  0.36047926  0.23284176  1
  Ni  Ni4  1  0.93582489  0.54897973  0.72900847  1
  Ni  Ni5  1  0.43582642  0.95101411  0.77099072  1
  Ni  Ni6  1  0.06417556  0.45102145  0.27099559  1
  Ni  Ni7  1  0.56417360  0.04898472  0.22900509  1
  Mn  Mn8  1  -0.00000172  1.00000146  1.00000014  1
  Mn  Mn9  1  0.49999858  0.49999892  0.50000075  1
  H  H10  1  0.18827563  0.19354677  0.08698823  1
  H  H11  1  0.68827449  0.30645391  0.41300876  1
  H  H12  1  0.81172687  0.80645067  0.91300933  1
  H  H13  1  0.31172820  0.69355049  0.58699378  1
  H  H14  1  0.27206518  0.09586608  0.98426338  1
  H  H15  1  0.77206558  0.40413280  0.51573468  1
  H  H16  1  0.72793517  0.90413032  0.01573521  1
  H  H17  1  0.22793539  0.59587177  0.48426720  1
  H  H18  1  0.57447901  0.38380838  0.86821719  1
  H  H19  1  0.07448117  0.11618610  0.63178406  1
  H  H20  1  0.42552036  0.61619270  0.13178413  1
  H  H21  1  0.92551817  0.88381341  0.36821440  1
  H  H22  1  0.46664941  0.16845081  0.89200185  1
  H  H23  1  -0.03335401  0.33154032  0.60800117  1
  H  H24  1  0.53334899  0.83154677  0.10799473  1
  H  H25  1  1.03335419  0.66846292  0.39200145  1
  H  H26  1  0.75597706  0.03494212  0.85285057  1
  H  H27  1  0.25597690  0.46505401  0.64715194  1
  H  H28  1  0.24402273  0.96505731  0.14714725  1
  H  H29  1  0.74402384  0.53494541  0.35285111  1
  H  H30  1  0.90678930  0.09314859  0.79512201  1
  H  H31  1  0.40678985  0.40684987  0.70488072  1
  H  H32  1  0.09321113  0.90685455  0.20487799  1
  H  H33  1  0.59321144  0.59314701  0.29511998  1
  H  H34  1  0.20634108  0.33009955  0.97052710  1
  H  H35  1  0.70634203  0.16989929  0.52946757  1
  H  H36  1  0.79365752  0.66989958  0.02947102  1
  H  H37  1  0.29365831  0.83010201  0.47053266  1
  H  H38  1  0.16923821  0.18249104  0.87198478  1
  H  H39  1  0.66924195  0.31750528  0.62801126  1
  H  H40  1  0.83076276  0.81750670  0.12801277  1
  H  H41  1  0.33076007  0.68249574  0.37199049  1
  H  H42  1  0.57768407  0.36699654  0.04351841  1
  H  H43  1  0.07768582  0.13299990  0.45648216  1
  H  H44  1  0.42231406  0.63300215  0.95648179  1
  H  H45  1  0.92231310  0.86700302  0.54351648  1
  H  H46  1  0.73214273  0.44579593  0.00685369  1
  H  H47  1  0.23214623  0.05420383  0.49314762  1
  H  H48  1  0.26785433  0.55420526  0.99314710  1
  H  H49  1  0.76785165  0.94579590  0.50685074  1
  H  H50  1  0.79916616  0.26954637  0.10053286  1
  H  H51  1  0.29916466  0.23045644  0.39946902  1
  H  H52  1  0.20083494  0.73045551  0.89946709  1
  H  H53  1  0.70083762  0.76954378  0.60053133  1
  H  H54  1  0.69436840  0.13718964  0.02276575  1
  H  H55  1  0.19436788  0.36281088  0.47723862  1
  H  H56  1  0.30563114  0.86281162  0.97723582  1
  H  H57  1  0.80563349  0.63718966  0.52276078  1
  H  H58  1  0.80104403  0.32229371  0.79828131  1
  H  H59  1  0.30104493  0.17770293  0.70172043  1
  H  H60  1  0.19895825  0.67771048  0.20172247  1
  H  H61  1  0.69895797  0.82229067  0.29827489  1
  H  H62  1  0.67697570  0.18510603  0.74739719  1
  H  H63  1  0.17697727  0.31489056  0.75260482  1
  H  H64  1  0.32302658  0.81490068  0.25260251  1
  H  H65  1  0.82302657  0.68510050  0.24739579  1
  H  H66  1  0.96889622  0.42934696  0.11002004  1
  H  H67  1  0.46889626  0.07065368  0.38998283  1
  H  H68  1  0.03110549  0.57065605  0.88998786  1
  H  H69  1  0.53110286  0.92934074  0.61000741  1
  H  H70  1  0.96999337  0.37699565  0.92460860  1
  H  H71  1  0.46999658  0.12300417  0.57539251  1
  H  H72  1  0.03000655  0.62300486  0.07539252  1
  H  H73  1  0.53000480  0.87699475  0.42460552  1
  C  C74  1  0.82055149  0.12797898  0.85003390  1
  C  C75  1  0.32055316  0.37201819  0.64996831  1
  C  C76  1  0.17944684  0.87202164  0.14996571  1
  C  C77  1  0.67944674  0.62798012  0.35003246  1
  C  C78  1  0.13896375  0.23505086  0.94985117  1
  C  C79  1  0.63896514  0.26494728  0.55014547  1
  C  C80  1  0.86103507  0.76494724  0.05014704  1
  C  C81  1  0.36103466  0.73505439  0.44985552  1
  C  C82  1  0.67121992  0.34550062  0.99322800  1
  C  C83  1  0.17122086  0.15449770  0.50677380  1
  C  C84  1  0.32877859  0.65449971  0.00677276  1
  C  C85  1  0.82877818  0.84550322  0.49322524  1
  C  C86  1  0.75918564  0.23115242  0.02374916  1
  C  C87  1  0.25918545  0.26884797  0.47625360  1
  C  C88  1  0.24081395  0.76884867  0.97625152  1
  C  C89  1  0.74081526  0.73115240  0.52374626  1
  C  C90  1  0.73138664  0.23973865  0.81677116  1
  C  C91  1  0.23138762  0.26025800  0.68323058  1
  C  C92  1  0.26861470  0.76026471  0.18322989  1
  C  C93  1  0.76861483  0.73973738  0.31676812  1
  C  C94  1  0.98918057  0.28056557  0.95415456  1
  C  C95  1  0.48917964  0.21943226  0.54584453  1
  C  C96  1  0.01082303  0.71943155  0.04584294  1
  C  C97  1  0.51082437  0.78056918  0.45415632  1
  N  N98  1  0.87929137  0.18408675  0.95290683  1
  N  N99  1  0.37929188  0.31591182  0.54709497  1
  N  N100  1  0.12070749  0.81591306  0.04709259  1
  N  N101  1  0.62070832  0.68408812  0.45290587  1
  N  N102  1  0.17331728  0.13647193  0.01366670  1
  N  N103  1  0.67331683  0.36352778  0.48633125  1
  N  N104  1  0.82668478  0.86352662  0.98633191  1
  N  N105  1  0.32668522  0.63647493  0.51367033  1
  N  N106  1  0.62317623  0.30002338  0.89014001  1
  N  N107  1  0.12317714  0.19997269  0.60986183  1
  N  N108  1  0.37682359  0.69997712  0.10986069  1
  N  N109  1  0.87682329  0.80002721  0.39013725  1
  O  O110  1  0.05571869  0.91015615  0.86554604  1
  O  O111  1  0.55572472  0.58984095  0.63445378  1
  O  O112  1  0.94427749  0.08984629  0.13445428  1
  O  O113  1  0.44427275  0.41015712  0.36554724  1
  O  O114  1  0.00594096  0.97550546  0.67478487  1
  O  O115  1  0.50593881  0.52449019  0.82521412  1
  O  O116  1  0.99405850  0.02449871  0.32521524  1
  O  O117  1  0.49405899  0.47551022  0.17478869  1
  O  O118  1  0.88782285  0.40145957  0.61810552  1
  O  O119  1  0.38782505  0.09853244  0.88189419  1
  O  O120  1  0.11217649  0.59854213  0.38189640  1
  O  O121  1  0.61217308  0.90146612  0.11810262  1
  O  O122  1  0.03251627  0.68999240  0.67926537  1
  O  O123  1  0.53252091  0.81000377  0.82073396  1
  O  O124  1  0.96747512  0.31001258  0.32073482  1
  O  O125  1  0.46747579  0.18999522  0.17926560  1
  O  O126  1  0.27293177  0.85464990  0.70416444  1
  O  O127  1  0.77293313  0.64534319  0.79584001  1
  O  O128  1  0.72706521  0.14534889  0.29583655  1
  O  O129  1  0.22706447  0.35465546  0.20416133  1
  O  O130  1  0.03316769  0.48648170  0.83417731  1
  O  O131  1  0.53316591  1.01351242  0.66582100  1
  O  O132  1  0.96683467  0.51352427  0.16582767  1
  O  O133  1  0.46683567  -0.01352000  0.33417289  1
